4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide

C12H16FN5O3 — CID 83016957

IUPAC4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
SMILESNNc1cc(C(=O)NN2CCCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN5O3/c13-9-7-11(18(20)21)8(6-10(9)15-14)12(19)16-17-4-2-1-3-5-17/h6-7,15H,1-5,14H2,(H,16,19)
InChIKeyCNFBATPHFLJGBR-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.15
Rot. Bonds4

About 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide

4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide (PubChem CID 83016957) has the molecular formula C12H16FN5O3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
PubChem CID83016957
Molecular FormulaC12H16FN5O3
Molecular Weight297.29 g/mol
Exact Mass297.12
IUPAC Name4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
SMILESNNc1cc(C(=O)NN2CCCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN5O3/c13-9-7-11(18(20)21)8(6-10(9)15-14)12(19)16-17-4-2-1-3-5-17/h6-7,15H,1-5,14H2,(H,16,19)
InChIKeyCNFBATPHFLJGBR-UHFFFAOYSA-N
XLogP1.15
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62238122
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
2-fluoro-4-nitro-5-(piperidin-1-ylamino)benzoic acid
CID 104700116
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249885
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide (CID 83016957) is 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide is NNc1cc(C(=O)NN2CCCCC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is CNFBATPHFLJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O3/c13-9-7-11(18(20)21)8(6-10(9)15-14)12(19)16-17-4-2-1-3-5-17/h6-7,15H,1-5,14H2,(H,16,19).
What are the key properties of 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide?
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 297.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83016957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).